CHEBI:132623 - nodakenetin

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ChEBI Name nodakenetin
ChEBI ID CHEBI:132623
Definition A marmesin with R-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Secondary ChEBI IDs CHEBI:49083, CHEBI:7606
Supplier Information
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Formula C14H14O4
Net Charge 0
Average Mass 246.259
Monoisotopic Mass 246.08921
InChI InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m1/s1
InChIKey FWYSBEAFFPBAQU-GFCCVEGCSA-N
SMILES O1[C@](CC2=C1C=C3OC(=O)C=CC3=C2)(C(C)(C)O)[H]
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) See: PubMed
Skimmia arborescens (NCBI:txid1603834) See: PubMed
Saposhnikovia divaricata (NCBI:txid203717) See: PubMed
Angelica pubescens (NCBI:txid312530) Found in root (BTO:0001188). See: PubMed
Angelica dahurica (NCBI:txid48101) See: PubMed
Angelica decursiva (NCBI:txid52491) Found in root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing nodakenetin (CHEBI:132623) has role plant metabolite (CHEBI:76924)
nodakenetin (CHEBI:132623) has role rat metabolite (CHEBI:86264)
nodakenetin (CHEBI:132623) has role xenobiotic metabolite (CHEBI:76206)
nodakenetin (CHEBI:132623) is a marmesin (CHEBI:49080)
nodakenetin (CHEBI:132623) is enantiomer of (+)-marmesin (CHEBI:6695)
Incoming marmesinin (CHEBI:132401) has functional parent nodakenetin (CHEBI:132623)
(+)-marmesin (CHEBI:6695) is enantiomer of nodakenetin (CHEBI:132623)
IUPAC Name
(2R)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one
Synonyms Sources
(-)-Marmesin KEGG COMPOUND
(R)-2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one ChemIDplus
Manual Xrefs Databases
C00002485 KNApSAcK
C09278 KEGG COMPOUND
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Registry Numbers Types Sources
495-32-9 CAS Registry Number KEGG COMPOUND
495-32-9 CAS Registry Number ChemIDplus
85845 Beilstein Registry Number Beilstein
85845 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17703773 PubMed citation Europe PMC
18058380 PubMed citation Europe PMC
18661821 PubMed citation Europe PMC
19431019 PubMed citation Europe PMC
19572262 PubMed citation Europe PMC
20822011 PubMed citation Europe PMC
22715728 PubMed citation Europe PMC
24696544 PubMed citation Europe PMC
25068578 PubMed citation Europe PMC
25340301 PubMed citation Europe PMC
26152875 PubMed citation Europe PMC
27444348 PubMed citation Europe PMC
Last Modified
24 November 2016